# generated using pymatgen
data_CrFeNiH8C14(NO)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.87550248
_cell_length_b   10.86695117
_cell_length_c   10.86324303
_cell_angle_alpha   89.16876442
_cell_angle_beta   88.99373621
_cell_angle_gamma   63.72426868
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrFeNiH8C14(NO)6
_chemical_formula_sum   'Cr2 Fe2 Ni2 H16 C28 N12 O12'
_cell_volume   1150.99093045
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ni  Ni0  1  0.90284067  0.09535425  0.24607151  1
  Ni  Ni1  1  0.09715758  0.90464934  0.75392724  1
  Fe  Fe2  1  0.85621635  0.99512458  -0.00563277  1
  Cr  Cr3  1  0.01110318  0.14269022  0.50400496  1
  Fe  Fe4  1  0.14378430  0.00487291  1.00563142  1
  Cr  Cr5  1  0.98889353  0.85731460  0.49599432  1
  H  H6  1  0.53797658  0.16888606  0.41510029  1
  H  H7  1  0.83057156  0.46072110  0.08858055  1
  H  H8  1  0.46202595  0.83110380  0.58490354  1
  H  H9  1  0.16943350  0.53928080  0.91141596  1
  H  H10  1  0.33420072  0.15628600  0.51429418  1
  H  H11  1  0.84258414  0.66474011  0.99115524  1
  H  H12  1  0.66579473  0.84371242  0.48570735  1
  H  H13  1  0.15742344  0.33526105  0.00884332  1
  H  H14  1  0.42476305  0.07449939  0.05955774  1
  H  H15  1  0.92789627  0.57259735  0.44465851  1
  H  H16  1  0.57523529  0.92549563  0.94044323  1
  H  H17  1  0.07209613  0.42740833  0.55534213  1
  H  H18  1  0.87842019  0.21698408  0.04469818  1
  H  H19  1  0.79340020  0.10995039  0.45423686  1
  H  H20  1  0.12158160  0.78301591  0.95529916  1
  H  H21  1  0.20659684  0.89005301  0.54576047  1
  C  C22  1  0.62536949  0.11745896  0.17653479  1
  C  C23  1  0.88512354  0.36994487  0.32651362  1
  C  C24  1  0.37463340  0.88253148  0.82346870  1
  C  C25  1  0.11487240  0.63005898  0.67348491  1
  C  C26  1  0.49783081  0.11801146  0.23198028  1
  C  C27  1  0.88445674  0.49798699  0.27252357  1
  C  C28  1  0.50217148  0.88198129  0.76802242  1
  C  C29  1  0.11554114  0.50201625  0.72747583  1
  C  C30  1  0.46932824  0.14402067  0.35971088  1
  C  C31  1  0.85668786  0.52794684  0.14485055  1
  C  C32  1  0.53067290  0.85597152  0.64029246  1
  C  C33  1  0.14331443  0.47205546  0.85514780  1
  C  C34  1  0.35561575  0.13856982  0.41616274  1
  C  C35  1  0.86205262  0.64163638  0.08881186  1
  C  C36  1  0.64438302  0.86142646  0.58383929  1
  C  C37  1  0.13795315  0.35836460  0.91118692  1
  C  C38  1  0.26874713  0.10845612  0.34224992  1
  C  C39  1  0.89383587  0.72758856  0.16272177  1
  C  C40  1  0.73125121  0.89154250  0.65775049  1
  C  C41  1  0.10616967  0.27241230  0.83727782  1
  C  C42  1  0.29497968  0.08543901  0.21573041  1
  C  C43  1  0.91465328  0.70274057  0.28947917  1
  C  C44  1  0.70502061  0.91455920  0.78427012  1
  C  C45  1  0.08534511  0.29726268  0.71052133  1
  C  C46  1  0.40836964  0.09115481  0.15817722  1
  C  C47  1  0.91109313  0.58833350  0.34631752  1
  C  C48  1  0.59163265  0.90883947  0.84182382  1
  C  C49  1  0.08890176  0.41167090  0.65368252  1
  N  N50  1  0.15448127  0.08759831  0.36794775  1
  N  N51  1  0.91354304  0.84200757  0.13525370  1
  N  N52  1  0.84551353  0.91240613  0.63204974  1
  N  N53  1  0.08647114  0.15798846  0.86474586  1
  N  N54  1  0.11551124  0.04915622  0.26462604  1
  N  N55  1  0.94948851  0.88311638  0.23695440  1
  N  N56  1  0.88448474  0.95084899  0.73537027  1
  N  N57  1  0.05051695  0.11688389  0.76304674  1
  N  N58  1  0.19477194  0.05327233  0.17137371  1
  N  N59  1  0.94122937  0.80676427  0.33333784  1
  N  N60  1  0.80522647  0.94673157  0.82862372  1
  N  N61  1  0.05876891  0.19323877  0.66666359  1
  O  O62  1  0.93019114  0.11936097  0.06231981  1
  O  O63  1  0.89164017  0.06071124  0.43587721  1
  O  O64  1  0.06980935  0.88063899  0.93767793  1
  O  O65  1  0.10835723  0.93929244  0.56412179  1
  O  O66  1  0.69819421  0.14884139  0.24836841  1
  O  O67  1  0.84882899  0.29996776  0.25706572  1
  O  O68  1  0.30180428  0.85115604  0.75163361  1
  O  O69  1  0.15116615  0.70003767  0.74293188  1
  O  O70  1  0.65301074  0.08388337  0.06352096  1
  O  O71  1  0.92260893  0.33771190  0.43987472  1
  O  O72  1  0.34699343  0.91610339  0.93648282  1
  O  O73  1  0.07738627  0.66229175  0.56012411  1
